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1,2-Butane-3-d-diol, [R-(R*,S*)]-
SpectraBase Compound ID 2CHEQUybm3r
InChI InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1/i2D/t2-,4+/m0
InChIKey BMRWNKZVCUKKSR-KMEVXRCVSA-N
Mol Weight 91.13 g/mol
Molecular Formula C4H9DO2
Exact Mass 91.074356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fbo5To5uOPR
Name 1,2-Butane-3-d-diol, [R-(R*,S*)]-
Alternate Name(s) (2R,3S)-(3-2H1)-1,2-butanediol
CAS Registry Number 84803-08-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H9DO2
InChI InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1/i2D/t2-,4+/m0
InChIKey BMRWNKZVCUKKSR-KMEVXRCVSA-N
Molecular Weight 91.128 g/mol
SMILES O[C@@](CO)([C@](C)([D])[H])[H]
SPLASH splash10-03di-9000000000-b8593f00b53f9193ba15
Source of Spectrum C-105-2413-0
Wiley ID 1117426